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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 2105   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16531
PNG
((3Z)-5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]o...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccco3)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C29H24N4O3/c30-21(10-20-15-32-27-6-2-1-5-24(20)27)17-36-23-11-19(14-31-16-23)18-7-8-28-25(12-18)26(29(34)33-28)13-22-4-3-9-35-22/h1-9,11-16,21,32H,10,17,30H2,(H,33,34)/b26-13-/t21-/m0/s1
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n/an/a 0.170n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16952
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES Cc1ccc(\C=C2/C(=O)Nc3ccc(cc23)-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)o1 |r|
Show InChI InChI=1S/C30H26N4O3/c1-18-6-8-23(37-18)13-27-26-12-19(7-9-29(26)34-30(27)35)20-11-24(16-32-14-20)36-17-22(31)10-21-15-33-28-5-3-2-4-25(21)28/h2-9,11-16,22,33H,10,17,31H2,1H3,(H,34,35)/b27-13-/t22-/m0/s1
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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16951
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3cccs3)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C29H24N4O2S/c30-21(10-20-15-32-27-6-2-1-5-24(20)27)17-35-22-11-19(14-31-16-22)18-7-8-28-25(12-18)26(29(34)33-28)13-23-4-3-9-36-23/h1-9,11-16,21,32H,10,17,30H2,(H,33,34)/b26-13-/t21-/m0/s1
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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16947
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3cc[nH]c3)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C29H25N5O2/c30-22(10-21-15-33-27-4-2-1-3-24(21)27)17-36-23-11-20(14-32-16-23)19-5-6-28-25(12-19)26(29(35)34-28)9-18-7-8-31-13-18/h1-9,11-16,22,31,33H,10,17,30H2,(H,34,35)/b26-9-/t22-/m0/s1
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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16938
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)C(F)(F)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C24H20F2N4O2/c25-24(26)20-9-14(5-6-22(20)30-23(24)31)15-8-18(12-28-10-15)32-13-17(27)7-16-11-29-21-4-2-1-3-19(16)21/h1-6,8-12,17,29H,7,13,27H2,(H,30,31)/t17-/m0/s1
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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16944
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C29H25N5O2/c30-21(10-20-15-33-27-6-2-1-5-24(20)27)17-36-23-11-19(14-31-16-23)18-7-8-28-25(12-18)26(29(35)34-28)13-22-4-3-9-32-22/h1-9,11-16,21,32-33H,10,17,30H2,(H,34,35)/b26-13-/t21-/m0/s1
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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM15067
PNG
((2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C25H22N4O/c26-22(10-21-14-29-25-4-2-1-3-24(21)25)16-30-23-11-20(13-28-15-23)17-5-6-19-12-27-8-7-18(19)9-17/h1-9,11-15,22,29H,10,16,26H2/t22-/m0/s1
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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16923
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)Cc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C24H22N4O2/c25-19(8-18-12-27-23-4-2-1-3-21(18)23)14-30-20-9-17(11-26-13-20)15-5-6-22-16(7-15)10-24(29)28-22/h1-7,9,11-13,19,27H,8,10,14,25H2,(H,28,29)/t19-/m0/s1
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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16939
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/C3CC3)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C28H26N4O2/c29-21(10-20-14-31-26-4-2-1-3-23(20)26)16-34-22-11-19(13-30-15-22)18-7-8-27-24(12-18)25(28(33)32-27)9-17-5-6-17/h1-4,7-9,11-15,17,21,31H,5-6,10,16,29H2,(H,32,33)/b25-9-/t21-/m0/s1
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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16934
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES CC1C(=O)Nc2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
Show InChI InChI=1S/C25H24N4O2/c1-15-22-10-16(6-7-24(22)29-25(15)30)17-9-20(13-27-11-17)31-14-19(26)8-18-12-28-23-5-3-2-4-21(18)23/h2-7,9-13,15,19,28H,8,14,26H2,1H3,(H,29,30)/t15?,19-/m0/s1
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n/an/a 4n/an/an/an/a7.522



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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16931
PNG
(6-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}py...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2[nH]c(=O)sc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C23H20N4O2S/c24-17(7-16-11-26-20-4-2-1-3-19(16)20)13-29-18-8-15(10-25-12-18)14-5-6-21-22(9-14)30-23(28)27-21/h1-6,8-12,17,26H,7,13,24H2,(H,27,28)/t17-/m0/s1
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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16919
PNG
(3-[(2S)-2-amino-3-[(5-{thieno[2,3-c]pyridin-2-yl}p...)
Show SMILES N[C@H](COc1cncc(c1)-c1cc2ccncc2s1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C23H20N4OS/c24-18(7-16-11-27-21-4-2-1-3-20(16)21)14-28-19-8-17(10-26-12-19)22-9-15-5-6-25-13-23(15)29-22/h1-6,8-13,18,27H,7,14,24H2/t18-/m0/s1
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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16940
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccccc3)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C31H26N4O2/c32-24(13-23-17-34-29-9-5-4-8-26(23)29)19-37-25-14-22(16-33-18-25)21-10-11-30-27(15-21)28(31(36)35-30)12-20-6-2-1-3-7-20/h1-12,14-18,24,34H,13,19,32H2,(H,35,36)/b28-12-/t24-/m0/s1
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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16926
PNG
((3E)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)C(N=O)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C24H21N5O3/c25-17(7-16-11-27-21-4-2-1-3-19(16)21)13-32-18-8-15(10-26-12-18)14-5-6-22-20(9-14)23(29-31)24(30)28-22/h1-6,8-12,17,23,27H,7,13,25H2,(H,28,30)/t17-,23?/m0/s1
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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16949
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ncc[nH]3)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C28H24N6O2/c29-20(9-19-14-33-25-4-2-1-3-22(19)25)16-36-21-10-18(13-30-15-21)17-5-6-26-23(11-17)24(28(35)34-26)12-27-31-7-8-32-27/h1-8,10-15,20,33H,9,16,29H2,(H,31,32)(H,34,35)/b24-12-/t20-/m0/s1
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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16930
PNG
(6-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]oxy}py...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2[nH]c(=O)oc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C23H20N4O3/c24-17(7-16-11-26-20-4-2-1-3-19(16)20)13-29-18-8-15(10-25-12-18)14-5-6-21-22(9-14)30-23(28)27-21/h1-6,8-12,17,26H,7,13,24H2,(H,27,28)/t17-/m0/s1
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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16946
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES Cn1cccc1\C=C1/C(=O)Nc2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
Show InChI InChI=1S/C30H27N5O2/c1-35-10-4-5-23(35)14-27-26-13-19(8-9-29(26)34-30(27)36)20-12-24(17-32-15-20)37-18-22(31)11-21-16-33-28-7-3-2-6-25(21)28/h2-10,12-17,22,33H,11,18,31H2,1H3,(H,34,36)/b27-14-/t22-/m0/s1
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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16953
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES Cc1cc(\C=C2/C(=O)Nc3ccc(cc23)-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)oc1C |r|
Show InChI InChI=1S/C31H28N4O3/c1-18-9-24(38-19(18)2)13-28-27-12-20(7-8-30(27)35-31(28)36)21-11-25(16-33-14-21)37-17-23(32)10-22-15-34-29-6-4-3-5-26(22)29/h3-9,11-16,23,34H,10,17,32H2,1-2H3,(H,35,36)/b28-13-/t23-/m0/s1
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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16943
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccccn3)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C30H25N5O2/c31-22(11-21-16-34-28-7-2-1-6-25(21)28)18-37-24-12-20(15-32-17-24)19-8-9-29-26(13-19)27(30(36)35-29)14-23-5-3-4-10-33-23/h1-10,12-17,22,34H,11,18,31H2,(H,35,36)/b27-14-/t22-/m0/s1
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n/an/a 10.3n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16942
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3cccnc3)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C30H25N5O2/c31-23(11-22-16-34-28-6-2-1-5-25(22)28)18-37-24-12-21(15-33-17-24)20-7-8-29-26(13-20)27(30(36)35-29)10-19-4-3-9-32-14-19/h1-10,12-17,23,34H,11,18,31H2,(H,35,36)/b27-10-/t23-/m0/s1
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n/an/a 10.4n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16933
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES CC1(C)C(=O)Nc2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
Show InChI InChI=1S/C26H26N4O2/c1-26(2)22-11-16(7-8-24(22)30-25(26)31)17-10-20(14-28-12-17)32-15-19(27)9-18-13-29-23-6-4-3-5-21(18)23/h3-8,10-14,19,29H,9,15,27H2,1-2H3,(H,30,31)/t19-/m0/s1
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n/an/a 24.6n/an/an/an/a7.522



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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16950
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES CCc1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(cc23)-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)c1C |r|
Show InChI InChI=1S/C33H33N5O2/c1-4-26-19(2)32(37-20(26)3)14-29-28-13-21(9-10-31(28)38-33(29)39)22-12-25(17-35-15-22)40-18-24(34)11-23-16-36-30-8-6-5-7-27(23)30/h5-10,12-17,24,36-37H,4,11,18,34H2,1-3H3,(H,38,39)/b29-14-/t24-/m0/s1
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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16921
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2nonc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C22H19N5O2/c23-17(7-16-11-25-20-4-2-1-3-19(16)20)13-28-18-8-15(10-24-12-18)14-5-6-21-22(9-14)27-29-26-21/h1-6,8-12,17,25H,7,13,23H2/t17-/m0/s1
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n/an/a 41n/an/an/an/a7.522



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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16937
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES CC(C)=C1C(=O)Nc2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r,wU:20.22,(-12.05,2.37,;-10.54,2.69,;-9.45,1.6,;-10.07,4.16,;-10.97,5.4,;-12.51,5.4,;-10.07,6.65,;-8.6,6.17,;-7.27,6.94,;-5.93,6.17,;-5.93,4.63,;-7.27,3.86,;-8.6,4.63,;-4.6,3.86,;-4.6,2.32,;-3.27,1.55,;-1.93,2.32,;-1.93,3.86,;-.6,4.63,;.73,3.86,;2.07,4.63,;2.07,6.17,;3.4,3.86,;4.74,4.63,;4.28,6.1,;5.53,6.99,;6.77,6.07,;8.28,6.37,;9.3,5.22,;8.8,3.76,;7.29,3.46,;6.28,4.61,;-3.27,4.63,)|
Show InChI InChI=1S/C27H26N4O2/c1-16(2)26-23-11-17(7-8-25(23)31-27(26)32)18-10-21(14-29-12-18)33-15-20(28)9-19-13-30-24-6-4-3-5-22(19)24/h3-8,10-14,20,30H,9,15,28H2,1-2H3,(H,31,32)/t20-/m0/s1
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n/an/a 52.7n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16935
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES CCC1C(=O)Nc2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
Show InChI InChI=1S/C26H26N4O2/c1-2-21-23-11-16(7-8-25(23)30-26(21)31)17-10-20(14-28-12-17)32-15-19(27)9-18-13-29-24-6-4-3-5-22(18)24/h3-8,10-14,19,21,29H,2,9,15,27H2,1H3,(H,30,31)/t19-,21?/m0/s1
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n/an/a 80n/an/an/an/a7.522



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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16924
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1cnc2NC(=O)Cc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C23H21N5O2/c24-18(6-17-11-26-21-4-2-1-3-20(17)21)13-30-19-7-16(9-25-12-19)15-5-14-8-22(29)28-23(14)27-10-15/h1-5,7,9-12,18,26H,6,8,13,24H2,(H,27,28,29)/t18-/m0/s1
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n/an/a 99n/an/an/an/a7.522



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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16927
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2[nH]c(=O)[nH]c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C23H21N5O2/c24-17(7-16-11-26-20-4-2-1-3-19(16)20)13-30-18-8-15(10-25-12-18)14-5-6-21-22(9-14)28-23(29)27-21/h1-6,8-12,17,26H,7,13,24H2,(H2,27,28,29)/t17-/m0/s1
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n/an/a 147n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16948
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3c[nH]c4ccccc34)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C33H27N5O2/c34-24(11-22-16-36-30-7-3-1-5-26(22)30)19-40-25-12-21(15-35-18-25)20-9-10-32-28(13-20)29(33(39)38-32)14-23-17-37-31-8-4-2-6-27(23)31/h1-10,12-18,24,36-37H,11,19,34H2,(H,38,39)/b29-14-/t24-/m0/s1
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n/an/a 153n/an/an/an/an/an/a



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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16925
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)C(=O)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C24H20N4O3/c25-17(7-16-11-27-21-4-2-1-3-19(16)21)13-31-18-8-15(10-26-12-18)14-5-6-22-20(9-14)23(29)24(30)28-22/h1-6,8-12,17,27H,7,13,25H2,(H,28,29,30)/t17-/m0/s1
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n/an/a 179n/an/an/an/a7.522



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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16941
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccc(Cl)cc3Cl)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C31H24Cl2N4O2/c32-22-7-5-19(28(33)13-22)12-27-26-11-18(6-8-30(26)37-31(27)38)20-10-24(16-35-14-20)39-17-23(34)9-21-15-36-29-4-2-1-3-25(21)29/h1-8,10-16,23,36H,9,17,34H2,(H,37,38)/b27-12-/t23-/m0/s1
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n/an/a 352n/an/an/an/an/an/a



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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16928
PNG
(2-(6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyr...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2[nH]c(=O)n(CC#N)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C25H22N6O2/c26-7-8-31-24-11-16(5-6-23(24)30-25(31)32)17-10-20(14-28-12-17)33-15-19(27)9-18-13-29-22-4-2-1-3-21(18)22/h1-6,10-14,19,29H,8-9,15,27H2,(H,30,32)/t19-/m0/s1
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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16920
PNG
(3-[(2S)-2-amino-3-[(5-{thieno[3,2-c]pyridin-2-yl}p...)
Show SMILES N[C@H](COc1cncc(c1)-c1cc2cnccc2s1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C23H20N4OS/c24-18(7-15-12-27-21-4-2-1-3-20(15)21)14-28-19-8-16(11-26-13-19)23-9-17-10-25-6-5-22(17)29-23/h1-6,8-13,18,27H,7,14,24H2/t18-/m0/s1
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n/an/a 488n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16945
PNG
((3Z)-5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]p...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/C3CCCN3)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C29H29N5O2/c30-21(10-20-15-33-27-6-2-1-5-24(20)27)17-36-23-11-19(14-31-16-23)18-7-8-28-25(12-18)26(29(35)34-28)13-22-4-3-9-32-22/h1-2,5-8,11-16,21-22,32-33H,3-4,9-10,17,30H2,(H,34,35)/b26-13-/t21-,22?/m0/s1
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n/an/a 660n/an/an/an/an/an/a



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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16936
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NC(=O)C(Cc3ccccc3)c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C31H28N4O2/c32-24(13-23-17-34-29-9-5-4-8-26(23)29)19-37-25-14-22(16-33-18-25)21-10-11-30-27(15-21)28(31(36)35-30)12-20-6-2-1-3-7-20/h1-11,14-18,24,28,34H,12-13,19,32H2,(H,35,36)/t24-,28?/m0/s1
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n/an/a 1.02E+3n/an/an/an/a7.522



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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16922
PNG
(6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2CC(=O)Nc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C24H22N4O2/c25-19(7-18-12-27-22-4-2-1-3-21(18)22)14-30-20-8-17(11-26-13-20)15-5-6-16-10-24(29)28-23(16)9-15/h1-6,8-9,11-13,19,27H,7,10,14,25H2,(H,28,29)/t19-/m0/s1
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n/an/a 4.40E+3n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16932
PNG
(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridi...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2NS(=O)(=O)Nc2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C22H21N5O3S/c23-17(7-16-11-25-20-4-2-1-3-19(16)20)13-30-18-8-15(10-24-12-18)14-5-6-21-22(9-14)27-31(28,29)26-21/h1-6,8-12,17,25-27H,7,13,23H2/t17-/m0/s1
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n/an/a 1.56E+4n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]


(Homo sapiens (Human))
BDBM16929
PNG
(2-(5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyr...)
Show SMILES N[C@H](COc1cncc(c1)-c1ccc2n(CC#N)c(=O)[nH]c2c1)Cc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C25H22N6O2/c26-7-8-31-24-6-5-16(11-23(24)30-25(31)32)17-10-20(14-28-12-17)33-15-19(27)9-18-13-29-22-4-2-1-3-21(18)22/h1-6,10-14,19,29H,8-9,15,27H2,(H,30,32)/t19-/m0/s1
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n/an/a 2.07E+4n/an/an/an/a7.522



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Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem Lett 16: 3424-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.005
BindingDB Entry DOI: 10.7270/Q2K072JJ
More data for this
Ligand-Target Pair